N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide

C15H23N3O2 — CID 82732203

IUPACN-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(CN)c1)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-18(14-6-8-20-11-14)7-5-15(19)17-13-4-2-3-12(9-13)10-16/h2-4,9,14H,5-8,10-11,16H2,1H3,(H,17,19)
InChIKeyVGLKCQLIAHCQLE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.19
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide

N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide (PubChem CID 82732203) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
PubChem CID82732203
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(CN)c1)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-18(14-6-8-20-11-14)7-5-15(19)17-13-4-2-3-12(9-13)10-16/h2-4,9,14H,5-8,10-11,16H2,1H3,(H,17,19)
InChIKeyVGLKCQLIAHCQLE-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
N-[3-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453328
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide
CID 82732033
N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide
CID 114240858
N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
CID 16780915
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
3-(3-aminophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 82739651
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide (CID 82732203) is N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide is CN(CCC(=O)Nc1cccc(CN)c1)C1CCOC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide?
The InChIKey is VGLKCQLIAHCQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(14-6-8-20-11-14)7-5-15(19)17-13-4-2-3-12(9-13)10-16/h2-4,9,14H,5-8,10-11,16H2,1H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide?
N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide is sourced from PubChem (CID 82732203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).