(E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide

C24H31N3O3 — CID 6079423

IUPAC(E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide
SMILESCOCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-25-15-6-10-22(25)18-27(21-12-13-21)24(29)19-26(16-7-17-30-2)23(28)14-11-20-8-4-3-5-9-20/h3-6,8-11,14-15,21H,7,12-13,16-19H2,1-2H3/b14-11+
InChIKeyNLPQQNIVNHXBEU-SDNWHVSQSA-N
MW409.53 g/mol
LogP3.09
Rot. Bonds11

About (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide

(E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide (PubChem CID 6079423) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide
PubChem CID6079423
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide
SMILESCOCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-25-15-6-10-22(25)18-27(21-12-13-21)24(29)19-26(16-7-17-30-2)23(28)14-11-20-8-4-3-5-9-20/h3-6,8-11,14-15,21H,7,12-13,16-19H2,1-2H3/b14-11+
InChIKeyNLPQQNIVNHXBEU-SDNWHVSQSA-N
XLogP3.09
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 42767862
(2R)-2-chloro-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
CID 7216924
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4033820
N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3398277
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 5222345
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)adamantane-1-carboxamide
CID 3470334
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 3891754
3-bromo-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4043231
N-cyclopropyl-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767861
N-cyclopropyl-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3939235
(E)-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 6255006
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-(4-nitrophenyl)-N-prop-2-enylprop-2-enamide
CID 4644998

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide (CID 6079423) is (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide is COCCCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide?
The InChIKey is NLPQQNIVNHXBEU-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-25-15-6-10-22(25)18-27(21-12-13-21)24(29)19-26(16-7-17-30-2)23(28)14-11-20-8-4-3-5-9-20/h3-6,8-11,14-15,21H,7,12-13,16-19H2,1-2H3/b14-11+.
What are the key properties of (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide?
(E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide has a molecular weight of 409.53 g/mol, XLogP of 3.09, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6079423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).