N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide

C21H30N2O — CID 810278

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCC(C)C(=O)N(Cc1cccn1Cc1ccccc1)[C@@H](C)C(C)C
InChIInChI=1S/C21H30N2O/c1-16(2)18(5)23(21(24)17(3)4)15-20-12-9-13-22(20)14-19-10-7-6-8-11-19/h6-13,16-18H,14-15H2,1-5H3/t18-/m0/s1
InChIKeyHVLBHPOESBQYFD-SFHVURJKSA-N
MW326.48 g/mol
LogP4.57
Rot. Bonds7

About N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide

N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide (PubChem CID 810278) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide
PubChem CID810278
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCC(C)C(=O)N(Cc1cccn1Cc1ccccc1)[C@@H](C)C(C)C
InChIInChI=1S/C21H30N2O/c1-16(2)18(5)23(21(24)17(3)4)15-20-12-9-13-22(20)14-19-10-7-6-8-11-19/h6-13,16-18H,14-15H2,1-5H3/t18-/m0/s1
InChIKeyHVLBHPOESBQYFD-SFHVURJKSA-N
XLogP4.57
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-(3-methylbutan-2-yl)acetamide
CID 42763126
N-[(1-benzylpyrrol-2-yl)methyl]-N-(3-methylbutan-2-yl)-4-phenylbenzamide
CID 42663176
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methylbutan-2-yl)-2,2-diphenylacetamide
CID 3937761
N-[(1-benzylpyrrol-2-yl)methyl]-4-ethyl-N-(3-methylbutan-2-yl)benzamide
CID 42763120
2,2-dichloro-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 98233144
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]naphthalene-2-carboxamide
CID 7398373
(3S)-N-[(1-benzylpyrrol-2-yl)methyl]-3,5,5-trimethyl-N-[(2R)-3-methylbutan-2-yl]hexanamide
CID 7412213
cis-(1R,2S)-N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-3-methylbutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 11893830
3-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-[(2R)-3-methylbutan-2-yl]urea
CID 7494930
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methylbutan-2-yl)-2-phenylmethoxyacetamide
CID 4580214
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-propan-2-ylacetamide
CID 810212
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-propan-2-ylbenzamide
CID 5004292

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide (CID 810278) is N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide is CC(C)C(=O)N(Cc1cccn1Cc1ccccc1)[C@@H](C)C(C)C.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide?
The InChIKey is HVLBHPOESBQYFD-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N2O/c1-16(2)18(5)23(21(24)17(3)4)15-20-12-9-13-22(20)14-19-10-7-6-8-11-19/h6-13,16-18H,14-15H2,1-5H3/t18-/m0/s1.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide?
N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide has a molecular weight of 326.48 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-N-[(2S)-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 810278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).