[4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid

C21H25N3O5 — CID 141280419

IUPAC[4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid
SMILESNCc1ccc(Oc2cc(O)cc(C(=O)NC3CCC(NC(=O)O)CC3)c2)cc1
InChIInChI=1S/C21H25N3O5/c22-12-13-1-7-18(8-2-13)29-19-10-14(9-17(25)11-19)20(26)23-15-3-5-16(6-4-15)24-21(27)28/h1-2,7-11,15-16,24-25H,3-6,12,22H2,(H,23,26)(H,27,28)
InChIKeyPJNZCBZDVAGZSB-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.95
Rot. Bonds6

About [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid

[4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid (PubChem CID 141280419) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid
PubChem CID141280419
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name[4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid
SMILESNCc1ccc(Oc2cc(O)cc(C(=O)NC3CCC(NC(=O)O)CC3)c2)cc1
InChIInChI=1S/C21H25N3O5/c22-12-13-1-7-18(8-2-13)29-19-10-14(9-17(25)11-19)20(26)23-15-3-5-16(6-4-15)24-21(27)28/h1-2,7-11,15-16,24-25H,3-6,12,22H2,(H,23,26)(H,27,28)
InChIKeyPJNZCBZDVAGZSB-UHFFFAOYSA-N
XLogP2.95
TPSA133.91 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[3-(4-cyanobutoxy)-5-(4-cyanophenoxy)benzoyl]amino]cyclohexyl]carbamic acid
CID 141280481
N-cyclopropyl-3-(difluoromethoxy)-5-hydroxybenzamide
CID 171382840
ethyl 4-[[4-(aminomethyl)benzoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297435
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
tert-butyl N-[[4-[3-[(6-amino-3-pyridinyl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]phenoxy]phenyl]methyl]carbamate
CID 66818687
N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide
CID 141280523
[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid
CID 141280425
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
5-(aminomethyl)-N-cyclopropylpyridine-3-carboxamide
CID 84663349
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
benzyl 4-[[4-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate;hydrochloride
CID 165436550

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid (CID 141280419) is [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid is NCc1ccc(Oc2cc(O)cc(C(=O)NC3CCC(NC(=O)O)CC3)c2)cc1.
What is the InChIKey of [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid?
The InChIKey is PJNZCBZDVAGZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c22-12-13-1-7-18(8-2-13)29-19-10-14(9-17(25)11-19)20(26)23-15-3-5-16(6-4-15)24-21(27)28/h1-2,7-11,15-16,24-25H,3-6,12,22H2,(H,23,26)(H,27,28).
What are the key properties of [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid?
[4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid has a molecular weight of 399.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 141280419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).