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

C21H24N2O3 — CID 119779081

IUPACN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)CCCO2)C1CNCCO1
InChIInChI=1S/C21H24N2O3/c24-21(19-14-22-10-12-26-19)23-20(15-5-2-1-3-6-15)17-8-9-18-16(13-17)7-4-11-25-18/h1-3,5-6,8-9,13,19-20,22H,4,7,10-12,14H2,(H,23,24)
InChIKeyRHUCUNUNHIJCMJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.21
Rot. Bonds4

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

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide (PubChem CID 119779081) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
PubChem CID119779081
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)CCCO2)C1CNCCO1
InChIInChI=1S/C21H24N2O3/c24-21(19-14-22-10-12-26-19)23-20(15-5-2-1-3-6-15)17-8-9-18-16(13-17)7-4-11-25-18/h1-3,5-6,8-9,13,19-20,22H,4,7,10-12,14H2,(H,23,24)
InChIKeyRHUCUNUNHIJCMJ-UHFFFAOYSA-N
XLogP2.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]piperidine-4-carboxamide;hydrochloride
CID 119320930
(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
CID 95319395
N-(3,4-dihydro-2H-chromen-6-yl)morpholine-2-carboxamide;hydrochloride
CID 119767367
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119697982
2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
CID 91648959
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119691331
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide
CID 86897846
N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119757947
N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99701816

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide (CID 119779081) is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide is O=C(NC(c1ccccc1)c1ccc2c(c1)CCCO2)C1CNCCO1.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide?
The InChIKey is RHUCUNUNHIJCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(19-14-22-10-12-26-19)23-20(15-5-2-1-3-6-15)17-8-9-18-16(13-17)7-4-11-25-18/h1-3,5-6,8-9,13,19-20,22H,4,7,10-12,14H2,(H,23,24).
What are the key properties of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide?
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119779081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).