N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide

C26H39N3O2 — CID 5025115

IUPACN-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
SMILESCCCCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccccc1)C(C)C)CC(C)C
InChIInChI=1S/C26H39N3O2/c1-6-7-15-25(30)28(17-21(2)3)20-26(31)29(22(4)5)19-24-14-11-16-27(24)18-23-12-9-8-10-13-23/h8-14,16,21-22H,6-7,15,17-20H2,1-5H3
InChIKeyMDPWZMVUURGASW-UHFFFAOYSA-N
MW425.62 g/mol
LogP4.95
Rot. Bonds12

About N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide

N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide (PubChem CID 5025115) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
PubChem CID5025115
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC NameN-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
SMILESCCCCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccccc1)C(C)C)CC(C)C
InChIInChI=1S/C26H39N3O2/c1-6-7-15-25(30)28(17-21(2)3)20-26(31)29(22(4)5)19-24-14-11-16-27(24)18-23-12-9-8-10-13-23/h8-14,16,21-22H,6-7,15,17-20H2,1-5H3
InChIKeyMDPWZMVUURGASW-UHFFFAOYSA-N
XLogP4.95
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(3-methoxypropyl)heptanamide
CID 4528927
2-[acetyl(propyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylacetamide
CID 4559208
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)pentanamide
CID 5095743
N-[2-[butan-2-yl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 42771336
(E)-N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-butyl-3-phenylprop-2-enamide
CID 42776782
methyl 5-[[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-(2-methoxyethyl)amino]-5-oxopentanoate
CID 3454447
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-3,3-dimethyl-N-propylbutanamide
CID 4238453
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylhexanamide
CID 4542851
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3975085
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-butyl-3-methoxybenzamide
CID 42776781
N-[2-[benzyl-[(1-benzylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-pentylbenzamide
CID 4555596
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 3269455

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide?
The IUPAC name of N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide (CID 5025115) is N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide?
The canonical SMILES for N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide is CCCCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccccc1)C(C)C)CC(C)C.
What is the InChIKey of N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide?
The InChIKey is MDPWZMVUURGASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O2/c1-6-7-15-25(30)28(17-21(2)3)20-26(31)29(22(4)5)19-24-14-11-16-27(24)18-23-12-9-8-10-13-23/h8-14,16,21-22H,6-7,15,17-20H2,1-5H3.
What are the key properties of N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide?
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide has a molecular weight of 425.62 g/mol, XLogP of 4.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 5025115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).