N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide

C22H29N3O2 — CID 51129921

IUPACN-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29N3O2/c26-20(13-23-21(27)17-5-6-17)24-18-3-1-2-4-19(18)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,14-17,25H,5-13H2,(H,23,27)(H,24,26)
InChIKeyOWFLBDSLERGFLE-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.53
Rot. Bonds6

About N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 51129921) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID51129921
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29N3O2/c26-20(13-23-21(27)17-5-6-17)24-18-3-1-2-4-19(18)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,14-17,25H,5-13H2,(H,23,27)(H,24,26)
InChIKeyOWFLBDSLERGFLE-UHFFFAOYSA-N
XLogP3.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]carbamate
CID 60609789
N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide
CID 52819195
2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide
CID 60613258
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
CID 119865706
N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997525
N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 60590759
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
tert-butyl N-[2-[2-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917369
N-(2-methylphenyl)adamantan-1-amine
CID 68755177

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide (CID 51129921) is N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide is O=C(CNC(=O)C1CC1)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is OWFLBDSLERGFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-20(13-23-21(27)17-5-6-17)24-18-3-1-2-4-19(18)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,14-17,25H,5-13H2,(H,23,27)(H,24,26).
What are the key properties of N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 51129921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).