N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide

C15H24N2O — CID 122568468

IUPACN-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide
SMILESCCC(C(=O)NCC1(C(C)C)CC1)n1cccc1
InChIInChI=1S/C15H24N2O/c1-4-13(17-9-5-6-10-17)14(18)16-11-15(7-8-15)12(2)3/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,16,18)
InChIKeyXZXJYLIBXYRIEX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds6

About N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide

N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide (PubChem CID 122568468) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide
PubChem CID122568468
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide
SMILESCCC(C(=O)NCC1(C(C)C)CC1)n1cccc1
InChIInChI=1S/C15H24N2O/c1-4-13(17-9-5-6-10-17)14(18)16-11-15(7-8-15)12(2)3/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,16,18)
InChIKeyXZXJYLIBXYRIEX-UHFFFAOYSA-N
XLogP2.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742398
(2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide
CID 126444896
(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103833263
2-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742368
(2R)-2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797619
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625
2-amino-2-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide;hydrochloride
CID 119333913
methyl (2R)-2-pyrrol-1-ylbutanoate
CID 100793863
N-ethyl-2-pyrrol-1-ylpropanamide
CID 61478012
2-(aminomethyl)-4,4-dimethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 114094166
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
CID 131910883
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide?
The IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide (CID 122568468) is N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide?
The canonical SMILES for N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide is CCC(C(=O)NCC1(C(C)C)CC1)n1cccc1.
What is the InChIKey of N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide?
The InChIKey is XZXJYLIBXYRIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13(17-9-5-6-10-17)14(18)16-11-15(7-8-15)12(2)3/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3,(H,16,18).
What are the key properties of N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide?
N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylcyclopropyl)methyl]-2-pyrrol-1-ylbutanamide is sourced from PubChem (CID 122568468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).