(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide

C18H24N2O — CID 99936419

IUPAC(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide
SMILESCNC(=O)C[C@H](C)N(C)Cc1cccc2c(C)cccc12
InChIInChI=1S/C18H24N2O/c1-13-7-5-10-17-15(8-6-9-16(13)17)12-20(4)14(2)11-18(21)19-3/h5-10,14H,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyONZHQZAMXABIIX-AWEZNQCLSA-N
MW284.40 g/mol
LogP3.10
Rot. Bonds5

About (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide

(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide (PubChem CID 99936419) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide
PubChem CID99936419
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide
SMILESCNC(=O)C[C@H](C)N(C)Cc1cccc2c(C)cccc12
InChIInChI=1S/C18H24N2O/c1-13-7-5-10-17-15(8-6-9-16(13)17)12-20(4)14(2)11-18(21)19-3/h5-10,14H,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyONZHQZAMXABIIX-AWEZNQCLSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054
(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
CID 56709335
1-(5-methylnaphthalen-1-yl)propan-2-one
CID 59096635
N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
CID 50985142
N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 50970573
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520
(3S)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide
CID 99938179
(3R)-3-[(5-chloro-2,4-dimethoxyphenyl)methyl-methylamino]-N-methylbutanamide
CID 99938180
(3S)-3-[[2-(4-chloro-3-methylanilino)-2-oxoethyl]-methylamino]-N-methylbutanamide
CID 124749263
3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide
CID 91831930
(3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide
CID 95217499

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide?
The IUPAC name of (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide (CID 99936419) is (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide.
What is the SMILES notation for (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide?
The canonical SMILES for (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide is CNC(=O)C[C@H](C)N(C)Cc1cccc2c(C)cccc12.
What is the InChIKey of (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide?
The InChIKey is ONZHQZAMXABIIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-7-5-10-17-15(8-6-9-16(13)17)12-20(4)14(2)11-18(21)19-3/h5-10,14H,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide?
(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide has a molecular weight of 284.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide is sourced from PubChem (CID 99936419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).