(2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide

C19H28N2O3 — CID 95131777

IUPAC(2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide
SMILESCOc1cccc2c1OCCCN([C@H](C)C(=O)NC1CCCC1)C2
InChIInChI=1S/C19H28N2O3/c1-14(19(22)20-16-8-3-4-9-16)21-11-6-12-24-18-15(13-21)7-5-10-17(18)23-2/h5,7,10,14,16H,3-4,6,8-9,11-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyCELWDHFEXGZABJ-CQSZACIVSA-N
MW332.44 g/mol
LogP2.73
Rot. Bonds4

About (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide

(2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide (PubChem CID 95131777) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide
PubChem CID95131777
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide
SMILESCOc1cccc2c1OCCCN([C@H](C)C(=O)NC1CCCC1)C2
InChIInChI=1S/C19H28N2O3/c1-14(19(22)20-16-8-3-4-9-16)21-11-6-12-24-18-15(13-21)7-5-10-17(18)23-2/h5,7,10,14,16H,3-4,6,8-9,11-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyCELWDHFEXGZABJ-CQSZACIVSA-N
XLogP2.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide
CID 50969860
(2R)-2-amino-1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-4-methylpentan-1-one
CID 56878940
2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 77084904
(2S)-1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 99943592
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124757689
1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone
CID 77091655
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 8686992
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide
CID 126426430
2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 135102443

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide (CID 95131777) is (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide is COc1cccc2c1OCCCN([C@H](C)C(=O)NC1CCCC1)C2.
What is the InChIKey of (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide?
The InChIKey is CELWDHFEXGZABJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(19(22)20-16-8-3-4-9-16)21-11-6-12-24-18-15(13-21)7-5-10-17(18)23-2/h5,7,10,14,16H,3-4,6,8-9,11-13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide?
(2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide has a molecular weight of 332.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)propanamide is sourced from PubChem (CID 95131777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).