(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide

C22H26N2O3 — CID 95091374

IUPAC(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3)cc2C1
InChIInChI=1S/C22H26N2O3/c1-15(2)10-11-23-21(25)18-12-17-13-19(8-9-20(17)27-14-18)24-22(26)16-6-4-3-5-7-16/h3-9,13,15,18H,10-12,14H2,1-2H3,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyDSKPNONDLYUGIQ-GOSISDBHSA-N
MW366.46 g/mol
LogP3.65
Rot. Bonds6

About (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95091374) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95091374
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3)cc2C1
InChIInChI=1S/C22H26N2O3/c1-15(2)10-11-23-21(25)18-12-17-13-19(8-9-20(17)27-14-18)24-22(26)16-6-4-3-5-7-16/h3-9,13,15,18H,10-12,14H2,1-2H3,(H,23,25)(H,24,26)/t18-/m1/s1
InChIKeyDSKPNONDLYUGIQ-GOSISDBHSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-[(4-fluorobenzoyl)amino]-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091127
6-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123288
(3S)-6-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091521
(3S)-N-(3-methoxypropyl)-6-[(4-methylbenzoyl)amino]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091055
6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123430
(3R)-6-[(3-methylbenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091216
(3S)-6-[(4-bromobenzoyl)amino]-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091417
(3S)-N-(2-methoxyethyl)-6-(2-methylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091237
(3R)-6-[(3-chlorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091496
(3S)-6-[(3-chlorobenzoyl)amino]-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091499
(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091102
(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091455

Frequently Asked Questions

What is the IUPAC name of (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 95091374) is (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)CCNC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3)cc2C1.
What is the InChIKey of (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DSKPNONDLYUGIQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)10-11-23-21(25)18-12-17-13-19(8-9-20(17)27-14-18)24-22(26)16-6-4-3-5-7-16/h3-9,13,15,18H,10-12,14H2,1-2H3,(H,23,25)(H,24,26)/t18-/m1/s1.
What are the key properties of (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95091374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).