N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide

C22H29N3O3 — CID 51308768

IUPACN-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESNC(=O)C(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C22H29N3O3/c23-20(27)19(17-4-2-1-3-5-17)25-18(26)6-7-24-21(28)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-5,14-16,19H,6-13H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyCXLRTINHTZJZIY-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.05
Rot. Bonds7

About N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 51308768) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID51308768
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESNC(=O)C(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C22H29N3O3/c23-20(27)19(17-4-2-1-3-5-17)25-18(26)6-7-24-21(28)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-5,14-16,19H,6-13H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyCXLRTINHTZJZIY-UHFFFAOYSA-N
XLogP2.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[cyclopropyl(phenyl)methyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 51295981
N-[4-(benzhydrylamino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398026
2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-phenylacetamide
CID 51315386
N-[4-oxo-4-[[phenyl(thiophen-2-yl)methyl]amino]butyl]adamantane-1-carboxamide
CID 24682641
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51292727
N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide
CID 16557098
N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 48735749
N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]adamantane-1-carboxamide
CID 27991563
N-[3-(2-iodoanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 17490902
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 51315358
N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide
CID 108542343
phenyl 4-(adamantane-1-carbonylamino)butanoate
CID 18281096

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide (CID 51308768) is N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide is NC(=O)C(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is CXLRTINHTZJZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c23-20(27)19(17-4-2-1-3-5-17)25-18(26)6-7-24-21(28)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-5,14-16,19H,6-13H2,(H2,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 51308768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).