N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide

C16H23N3O2 — CID 42767360

IUPACN-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(Cc1ccco1)Cc1cccn1C
InChIInChI=1S/C16H23N3O2/c1-13(2)17-10-16(20)19(12-15-7-5-9-21-15)11-14-6-4-8-18(14)3/h4-9,13,17H,10-12H2,1-3H3
InChIKeyWMCSYYZXJQGXQB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.14
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide

N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 42767360) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID42767360
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(Cc1ccco1)Cc1cccn1C
InChIInChI=1S/C16H23N3O2/c1-13(2)17-10-16(20)19(12-15-7-5-9-21-15)11-14-6-4-8-18(14)3/h4-9,13,17H,10-12H2,1-3H3
InChIKeyWMCSYYZXJQGXQB-UHFFFAOYSA-N
XLogP2.14
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 42767351
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 3620431
2-[[(2S)-butan-2-yl]-(tert-butylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7364712
2-[butan-2-yl(butylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3276636
N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 5041321
2-[[(2R)-butan-2-yl]-(phenylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7225456
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 7351356
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3892976
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 7327419
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3498628
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 5038649
N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 4520342

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide (CID 42767360) is N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)N(Cc1ccco1)Cc1cccn1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is WMCSYYZXJQGXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)17-10-16(20)19(12-15-7-5-9-21-15)11-14-6-4-8-18(14)3/h4-9,13,17H,10-12H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide?
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 42767360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).