4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

C14H19N3O3 — CID 104927853

IUPAC4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H19N3O3/c15-14(20)16-10-7-5-9(6-8-10)13(19)17-11-3-1-2-4-12(11)18/h5-8,11-12,18H,1-4H2,(H,17,19)(H3,15,16,20)/t11-,12-/m1/s1
InChIKeyVZKVZYDBMLHGQP-VXGBXAGGSA-N
MW277.32 g/mol
LogP1.21
Rot. Bonds3

About 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (PubChem CID 104927853) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
PubChem CID104927853
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H19N3O3/c15-14(20)16-10-7-5-9(6-8-10)13(19)17-11-3-1-2-4-12(11)18/h5-8,11-12,18H,1-4H2,(H,17,19)(H3,15,16,20)/t11-,12-/m1/s1
InChIKeyVZKVZYDBMLHGQP-VXGBXAGGSA-N
XLogP1.21
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957212
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (CID 104927853) is 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is NC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The InChIKey is VZKVZYDBMLHGQP-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-14(20)16-10-7-5-9(6-8-10)13(19)17-11-3-1-2-4-12(11)18/h5-8,11-12,18H,1-4H2,(H,17,19)(H3,15,16,20)/t11-,12-/m1/s1.
What are the key properties of 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide has a molecular weight of 277.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 104927853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).