N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide

C22H29N3O3 — CID 48735749

IUPACN-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29N3O3/c23-20(27)18(9-14-4-2-1-3-5-14)25-19(26)13-24-21(28)22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,15-18H,6-13H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyUXVBJOPXLXMZPV-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.53
Rot. Bonds7

About N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 48735749) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID48735749
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29N3O3/c23-20(27)18(9-14-4-2-1-3-5-14)25-19(26)13-24-21(28)22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,15-18H,6-13H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyUXVBJOPXLXMZPV-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(adamantane-1-carbonylamino)-3-phenylpropanoate
CID 7116346
[(2S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 9322762
methyl (2R)-2-[[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 7897072
(2S)-2-amino-N-[2-[[(2S)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 102315829
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
(2S)-N-(1-adamantylmethyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 37267352
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 51308768
(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]-3-phenylpropanamide
CID 101137790
benzyl (2S)-2-[[2-[[3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropanoyl]amino]acetyl]amino]-3-phenylpropanoate
CID 101232758
2-(1-adamantylamino)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(diaminomethylideneamino)pentanamide
CID 10279384
N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-5-bromothiophene-2-carboxamide
CID 49084011
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190632

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide (CID 48735749) is N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is UXVBJOPXLXMZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c23-20(27)18(9-14-4-2-1-3-5-14)25-19(26)13-24-21(28)22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,15-18H,6-13H2,(H2,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 48735749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).