(3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide

C17H26N2O2 — CID 95217499

IUPAC(3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)C[C@H](C)N(C)Cc1cc2c(cc1OC)CCC2
InChIInChI=1S/C17H26N2O2/c1-12(8-17(20)18-2)19(3)11-15-9-13-6-5-7-14(13)10-16(15)21-4/h9-10,12H,5-8,11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyVLHHUNIGXIYTGV-LBPRGKRZSA-N
MW290.41 g/mol
LogP2.14
Rot. Bonds6

About (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide

(3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide (PubChem CID 95217499) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name(3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide
PubChem CID95217499
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)C[C@H](C)N(C)Cc1cc2c(cc1OC)CCC2
InChIInChI=1S/C17H26N2O2/c1-12(8-17(20)18-2)19(3)11-15-9-13-6-5-7-14(13)10-16(15)21-4/h9-10,12H,5-8,11H2,1-4H3,(H,18,20)/t12-/m0/s1
InChIKeyVLHHUNIGXIYTGV-LBPRGKRZSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide
CID 91831930
(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide
CID 99936419
(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 117340504
1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
CID 170890550
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 9137098
(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
CID 95121560
N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
CID 50985142
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylurea
CID 122572597

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide?
The IUPAC name of (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide (CID 95217499) is (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide?
The canonical SMILES for (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide is CNC(=O)C[C@H](C)N(C)Cc1cc2c(cc1OC)CCC2.
What is the InChIKey of (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide?
The InChIKey is VLHHUNIGXIYTGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(8-17(20)18-2)19(3)11-15-9-13-6-5-7-14(13)10-16(15)21-4/h9-10,12H,5-8,11H2,1-4H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide?
(3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 95217499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).