N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide

C15H24N4O2 — CID 43374708

IUPACN-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCN(CCC(=O)Nc1cccc(CN)c1)CC(=O)N(C)C
InChIInChI=1S/C15H24N4O2/c1-18(2)15(21)11-19(3)8-7-14(20)17-13-6-4-5-12(9-13)10-16/h4-6,9H,7-8,10-11,16H2,1-3H3,(H,17,20)
InChIKeyILHYQVVBEFUKMY-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.49
Rot. Bonds7

About N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide

N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 43374708) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
PubChem CID43374708
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCN(CCC(=O)Nc1cccc(CN)c1)CC(=O)N(C)C
InChIInChI=1S/C15H24N4O2/c1-18(2)15(21)11-19(3)8-7-14(20)17-13-6-4-5-12(9-13)10-16/h4-6,9H,7-8,10-11,16H2,1-3H3,(H,17,20)
InChIKeyILHYQVVBEFUKMY-UHFFFAOYSA-N
XLogP0.49
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
2-[[3-(aminomethyl)phenyl]carbamoyl-ethylamino]-N,N-dimethylacetamide
CID 61449717
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374573
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61422115
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732203
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide (CID 43374708) is N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide is CN(CCC(=O)Nc1cccc(CN)c1)CC(=O)N(C)C.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is ILHYQVVBEFUKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(2)15(21)11-19(3)8-7-14(20)17-13-6-4-5-12(9-13)10-16/h4-6,9H,7-8,10-11,16H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide?
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.49, 7 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-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 43374708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).