N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide

C15H22N2O — CID 66418079

IUPACN-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(C)CC1CC1
InChIInChI=1S/C15H22N2O/c1-11(9-13-7-8-13)16-10-14-5-3-4-6-15(14)17-12(2)18/h3-6,11,13,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyKSODHBUQYBLVSC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.92
Rot. Bonds6

About N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide

N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 66418079) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
PubChem CID66418079
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC(C)CC1CC1
InChIInChI=1S/C15H22N2O/c1-11(9-13-7-8-13)16-10-14-5-3-4-6-15(14)17-12(2)18/h3-6,11,13,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyKSODHBUQYBLVSC-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
CID 66418081
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 68951696
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
CID 87633689
1-(benzenecarbonothioyl)-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 87632933
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea
CID 68953823
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 68949106
N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide
CID 66419635
N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 68948097
1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 68950856

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide (CID 66418079) is N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNC(C)CC1CC1.
What is the InChIKey of N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is KSODHBUQYBLVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(9-13-7-8-13)16-10-14-5-3-4-6-15(14)17-12(2)18/h3-6,11,13,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide?
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 66418079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).