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

C16H24N2O — CID 66418081

IUPACN-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
SMILESCCC(CC1CC1)NCc1ccccc1NC(C)=O
InChIInChI=1S/C16H24N2O/c1-3-15(10-13-8-9-13)17-11-14-6-4-5-7-16(14)18-12(2)19/h4-7,13,15,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeySTPAMOZSZCINAB-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.31
Rot. Bonds7

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

N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 66418081) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
PubChem CID66418081
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
SMILESCCC(CC1CC1)NCc1ccccc1NC(C)=O
InChIInChI=1S/C16H24N2O/c1-3-15(10-13-8-9-13)17-11-14-6-4-5-7-16(14)18-12(2)19/h4-7,13,15,17H,3,8-11H2,1-2H3,(H,18,19)
InChIKeySTPAMOZSZCINAB-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide
CID 66419443
N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide
CID 66419635
2-[2-(1-cyclopropylbutan-2-ylcarbamoylamino)phenyl]acetic acid
CID 63994767
N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine
CID 146000033
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
2-[(2-acetamidophenyl)methylamino]-3-methylbutanoic acid
CID 66419829
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
3-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]-2-methylpropanamide
CID 119439505
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide
CID 66419821

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide (CID 66418081) is N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide is CCC(CC1CC1)NCc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is STPAMOZSZCINAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15(10-13-8-9-13)17-11-14-6-4-5-7-16(14)18-12(2)19/h4-7,13,15,17H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide?
N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 66418081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).