N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide

C16H22N4O — CID 66131504

IUPACN-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cncn2C(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-4-16(21)19-14-7-5-13(6-8-14)18-10-15-9-17-11-20(15)12(2)3/h5-9,11-12,18H,4,10H2,1-3H3,(H,19,21)
InChIKeyRPAHHDNFUYGOAJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide

N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide (PubChem CID 66131504) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide
PubChem CID66131504
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cncn2C(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-4-16(21)19-14-7-5-13(6-8-14)18-10-15-9-17-11-20(15)12(2)3/h5-9,11-12,18H,4,10H2,1-3H3,(H,19,21)
InChIKeyRPAHHDNFUYGOAJ-UHFFFAOYSA-N
XLogP3.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66129675
N-[(3-propan-2-ylimidazol-4-yl)methyl]-4-(triazol-2-yl)aniline
CID 66130925
4-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130876
N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide
CID 115682692
2-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]benzenesulfonamide
CID 66129478
2-chloro-1-N,1-N-dimethyl-4-N-[(3-propan-2-ylimidazol-4-yl)methyl]benzene-1,4-diamine
CID 66163955
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
4-fluoro-3-[(3-propan-2-ylimidazol-4-yl)methylamino]benzamide
CID 66131700
N-[4-(1H-imidazol-2-ylmethylamino)phenyl]propanamide
CID 54976515
4-butan-2-yl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117869
N-[4-[(5-methyl-2-pyridinyl)methylamino]phenyl]propanamide
CID 80709466

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide?
The IUPAC name of N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide (CID 66131504) is N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NCc2cncn2C(C)C)cc1.
What is the InChIKey of N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide?
The InChIKey is RPAHHDNFUYGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-16(21)19-14-7-5-13(6-8-14)18-10-15-9-17-11-20(15)12(2)3/h5-9,11-12,18H,4,10H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide?
N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-propan-2-ylimidazol-4-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 66131504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).