N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide

C11H20N4O — CID 63293461

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCc1nccn1C
InChIInChI=1S/C11H20N4O/c1-9(2)12-5-4-11(16)14-8-10-13-6-7-15(10)3/h6-7,9,12H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyQZVLAEVYPJPNFQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.42
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide

N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 63293461) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID63293461
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCc1nccn1C
InChIInChI=1S/C11H20N4O/c1-9(2)12-5-4-11(16)14-8-10-13-6-7-15(10)3/h6-7,9,12H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyQZVLAEVYPJPNFQ-UHFFFAOYSA-N
XLogP0.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
2-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoylamino]butanoic acid
CID 80541064
1-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63293396
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
CID 114532105
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide (CID 63293461) is N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is QZVLAEVYPJPNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)12-5-4-11(16)14-8-10-13-6-7-15(10)3/h6-7,9,12H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63293461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).