N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide

C14H19NO2 — CID 94466633

IUPACN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C14H19NO2/c1-10(2)7-14(16)15-12-8-11-5-3-4-6-13(11)17-9-12/h3-6,10,12H,7-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyFSYWSPNTAZZCET-LBPRGKRZSA-N
MW233.31 g/mol
LogP2.15
Rot. Bonds3

About N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide

N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide (PubChem CID 94466633) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
PubChem CID94466633
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C14H19NO2/c1-10(2)7-14(16)15-12-8-11-5-3-4-6-13(11)17-9-12/h3-6,10,12H,7-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyFSYWSPNTAZZCET-LBPRGKRZSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
CID 129368199
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119734025
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 129366981
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70739420
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-3-yl)-4-methylsulfanylbutanamide
CID 119295189
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 94466609
N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 94466660

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide?
The IUPAC name of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide (CID 94466633) is N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide is CC(C)CC(=O)N[C@@H]1COc2ccccc2C1.
What is the InChIKey of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide?
The InChIKey is FSYWSPNTAZZCET-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)7-14(16)15-12-8-11-5-3-4-6-13(11)17-9-12/h3-6,10,12H,7-9H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide?
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide is sourced from PubChem (CID 94466633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).