N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide

C19H27N3O — CID 119865706

IUPACN-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
SMILESCC(N)C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N3O/c1-12(20)18(23)21-16-4-2-3-5-17(16)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15,22H,6-11,20H2,1H3,(H,21,23)
InChIKeyRKNMAZOSDOOUKR-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.35
Rot. Bonds4

About N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide

N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide (PubChem CID 119865706) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide.

Molecular Properties

Compound NameN-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
PubChem CID119865706
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
SMILESCC(N)C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N3O/c1-12(20)18(23)21-16-4-2-3-5-17(16)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15,22H,6-11,20H2,1H3,(H,21,23)
InChIKeyRKNMAZOSDOOUKR-UHFFFAOYSA-N
XLogP3.35
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide
CID 52819195
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide
CID 60613258
N-(2-methylphenyl)adamantan-1-amine
CID 68755177
(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide
CID 9358506
N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 51129921
tert-butyl N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]carbamate
CID 60609789
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide?
The IUPAC name of N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide (CID 119865706) is N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide.
What is the SMILES notation for N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide?
The canonical SMILES for N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide is CC(N)C(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide?
The InChIKey is RKNMAZOSDOOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-12(20)18(23)21-16-4-2-3-5-17(16)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15,22H,6-11,20H2,1H3,(H,21,23).
What are the key properties of N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide?
N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide has a molecular weight of 313.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide is sourced from PubChem (CID 119865706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).