4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide

C21H26N2O2 — CID 120562483

IUPAC4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C21H26N2O2/c1-15(22)9-12-20(24)23-21(16-6-3-2-4-7-16)18-10-11-19-17(14-18)8-5-13-25-19/h2-4,6-7,10-11,14-15,21H,5,8-9,12-13,22H2,1H3,(H,23,24)
InChIKeyRLLXXNSNGILBKU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.34
Rot. Bonds6

About 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide

4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide (PubChem CID 120562483) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
PubChem CID120562483
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C21H26N2O2/c1-15(22)9-12-20(24)23-21(16-6-3-2-4-7-16)18-10-11-19-17(14-18)8-5-13-25-19/h2-4,6-7,10-11,14-15,21H,5,8-9,12-13,22H2,1H3,(H,23,24)
InChIKeyRLLXXNSNGILBKU-UHFFFAOYSA-N
XLogP3.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
CID 91648959
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320930
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
CID 95319395
4-amino-N-[(3-chlorophenyl)-phenylmethyl]pentanamide
CID 120560763
N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99701816
6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
CID 164630860
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119320936
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119779081
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide (CID 120562483) is 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide is CC(N)CCC(=O)NC(c1ccccc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide?
The InChIKey is RLLXXNSNGILBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(22)9-12-20(24)23-21(16-6-3-2-4-7-16)18-10-11-19-17(14-18)8-5-13-25-19/h2-4,6-7,10-11,14-15,21H,5,8-9,12-13,22H2,1H3,(H,23,24).
What are the key properties of 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide?
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide has a molecular weight of 338.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide is sourced from PubChem (CID 120562483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).