N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide

C17H23N3O3 — CID 97254109

IUPACN-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
SMILESC[C@@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCO1
InChIInChI=1S/C17H23N3O3/c1-11-10-15(8-9-23-11)20-17(22)19-14-6-4-13(5-7-14)18-16(21)12-2-3-12/h4-7,11-12,15H,2-3,8-10H2,1H3,(H,18,21)(H2,19,20,22)/t11-,15-/m1/s1
InChIKeyRHKYORNANDLQKA-IAQYHMDHSA-N
MW317.39 g/mol
LogP2.72
Rot. Bonds4

About N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide

N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 97254109) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
PubChem CID97254109
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
SMILESC[C@@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCO1
InChIInChI=1S/C17H23N3O3/c1-11-10-15(8-9-23-11)20-17(22)19-14-6-4-13(5-7-14)18-16(21)12-2-3-12/h4-7,11-12,15H,2-3,8-10H2,1H3,(H,18,21)(H2,19,20,22)/t11-,15-/m1/s1
InChIKeyRHKYORNANDLQKA-IAQYHMDHSA-N
XLogP2.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
CID 114108461
N-[4-[(3-methylcyclobutyl)amino]phenyl]cyclopropanecarboxamide
CID 104860025
1-[(2R,4S)-2-methyloxan-4-yl]-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 97332499
3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032344
2-anilino-N-(2-methyloxan-4-yl)acetamide
CID 114107774
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
CID 75523226
2-methyl-3-[4-[(2-methyloxane-4-carbonyl)amino]phenyl]propanoic acid
CID 120541174
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
1-(2-methyloxan-4-yl)-3-propylurea
CID 103887319
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide (CID 97254109) is N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide is C[C@@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCO1.
What is the InChIKey of N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is RHKYORNANDLQKA-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-10-15(8-9-23-11)20-17(22)19-14-6-4-13(5-7-14)18-16(21)12-2-3-12/h4-7,11-12,15H,2-3,8-10H2,1H3,(H,18,21)(H2,19,20,22)/t11-,15-/m1/s1.
What are the key properties of N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide?
N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 97254109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).