(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide

C19H30N2O — CID 9460394

IUPAC(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)N1CCCCCCC1
InChIInChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)20-19(22)16(3)21-13-9-5-4-6-10-14-21/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyWIUVRYIZVHWUKS-MRXNPFEDSA-N
MW302.46 g/mol
LogP4.40
Rot. Bonds4

About (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide

(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 9460394) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID9460394
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)N1CCCCCCC1
InChIInChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)20-19(22)16(3)21-13-9-5-4-6-10-14-21/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyWIUVRYIZVHWUKS-MRXNPFEDSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide
CID 43211808
2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24664257
2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 87014527
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
CID 9431131
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide
CID 131924875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide (CID 9460394) is (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCCCCCC1.
What is the InChIKey of (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is WIUVRYIZVHWUKS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)17-11-7-8-12-18(17)20-19(22)16(3)21-13-9-5-4-6-10-14-21/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 302.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 9460394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).