2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide

C16H21N3O3 — CID 71806728

IUPAC2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H21N3O3/c20-14-17-8-9-19(14)15(21)18-12-16(6-10-22-11-7-16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,20)(H,18,21)
InChIKeyRDOHZXKYVHCYIG-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.47
Rot. Bonds3

About 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide

2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide (PubChem CID 71806728) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide
PubChem CID71806728
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H21N3O3/c20-14-17-8-9-19(14)15(21)18-12-16(6-10-22-11-7-16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,20)(H,18,21)
InChIKeyRDOHZXKYVHCYIG-UHFFFAOYSA-N
XLogP1.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806744
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride
CID 44828372
(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 755199
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[(4-phenyloxan-4-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 47057294
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
4-(furan-2-ylmethyl)-N-[(4-phenyloxan-4-yl)methyl]piperazine-1-carboxamide
CID 119070855

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide?
The IUPAC name of 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide (CID 71806728) is 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide is O=C1NCCN1C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide?
The InChIKey is RDOHZXKYVHCYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-14-17-8-9-19(14)15(21)18-12-16(6-10-22-11-7-16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,20)(H,18,21).
What are the key properties of 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide?
2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-phenyloxan-4-yl)methyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 71806728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).