(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C22H26N2O3 — CID 51671316

IUPAC(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1COc2ccccc2C1
InChIInChI=1S/C22H26N2O3/c25-22(19-12-18-8-4-5-9-21(18)27-16-19)23-13-20-15-24(10-11-26-20)14-17-6-2-1-3-7-17/h1-9,19-20H,10-16H2,(H,23,25)/t19-,20+/m1/s1
InChIKeyVCBAJLXZOJWSLR-UXHICEINSA-N
MW366.46 g/mol
LogP2.25
Rot. Bonds5

About (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 51671316) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID51671316
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1COc2ccccc2C1
InChIInChI=1S/C22H26N2O3/c25-22(19-12-18-8-4-5-9-21(18)27-16-19)23-13-20-15-24(10-11-26-20)14-17-6-2-1-3-7-17/h1-9,19-20H,10-16H2,(H,23,25)/t19-,20+/m1/s1
InChIKeyVCBAJLXZOJWSLR-UXHICEINSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 129402077
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
(2R)-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-2-carboxamide
CID 119829812
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119829834

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 51671316) is (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1COc2ccccc2C1.
What is the InChIKey of (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is VCBAJLXZOJWSLR-UXHICEINSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-22(19-12-18-8-4-5-9-21(18)27-16-19)23-13-20-15-24(10-11-26-20)14-17-6-2-1-3-7-17/h1-9,19-20H,10-16H2,(H,23,25)/t19-,20+/m1/s1.
What are the key properties of (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 51671316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).