(2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide

C20H25N3O — CID 9358498

IUPAC(2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide
SMILESC[C@@H](NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H25N3O/c1-13(19(24)22-18-4-2-3-14(8-18)12-21)23-20-9-15-5-16(10-20)7-17(6-15)11-20/h2-4,8,13,15-17,23H,5-7,9-11H2,1H3,(H,22,24)/t13-,15?,16?,17?,20?/m1/s1
InChIKeyBETQCBUQHTZSCA-SFAMEIPESA-N
MW323.44 g/mol
LogP3.44
Rot. Bonds4

About (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide

(2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide (PubChem CID 9358498) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide
PubChem CID9358498
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide
SMILESC[C@@H](NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H25N3O/c1-13(19(24)22-18-4-2-3-14(8-18)12-21)23-20-9-15-5-16(10-20)7-17(6-15)11-20/h2-4,8,13,15-17,23H,5-7,9-11H2,1H3,(H,22,24)/t13-,15?,16?,17?,20?/m1/s1
InChIKeyBETQCBUQHTZSCA-SFAMEIPESA-N
XLogP3.44
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)adamantane-1-carboxamide
CID 7788359
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 7190702
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 7190700
(2S)-2-(1-adamantylamino)-N-(4-bromophenyl)propanamide
CID 9358485
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
CID 51143303
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9038662
N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide
CID 42911710
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7463132
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide (CID 9358498) is (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide is C[C@@H](NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide?
The InChIKey is BETQCBUQHTZSCA-SFAMEIPESA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(19(24)22-18-4-2-3-14(8-18)12-21)23-20-9-15-5-16(10-20)7-17(6-15)11-20/h2-4,8,13,15-17,23H,5-7,9-11H2,1H3,(H,22,24)/t13-,15?,16?,17?,20?/m1/s1.
What are the key properties of (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide?
(2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide has a molecular weight of 323.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 9358498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).