N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide

C12H17N3O — CID 70513646

IUPACN-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCNC1)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-10(11-5-3-2-4-6-11)14-12(16)15-8-7-13-9-15/h2-6,10,13H,7-9H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyFHAPTEVRBSWCOR-JTQLQIEISA-N
MW219.29 g/mol
LogP1.32
Rot. Bonds2

About N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide

N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide (PubChem CID 70513646) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide
PubChem CID70513646
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCNC1)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-10(11-5-3-2-4-6-11)14-12(16)15-8-7-13-9-15/h2-6,10,13H,7-9H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyFHAPTEVRBSWCOR-JTQLQIEISA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532
4-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carboxamide
CID 46673692

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide (CID 70513646) is N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide is C[C@H](NC(=O)N1CCNC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide?
The InChIKey is FHAPTEVRBSWCOR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(11-5-3-2-4-6-11)14-12(16)15-8-7-13-9-15/h2-6,10,13H,7-9H2,1H3,(H,14,16)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide?
N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 70513646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).