(2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide

C14H22N4O3 — CID 20646767

IUPAC(2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide
SMILESCc1ccc(NC(=O)N[C@H](CCCCN)C(=O)NO)cc1
InChIInChI=1S/C14H22N4O3/c1-10-5-7-11(8-6-10)16-14(20)17-12(13(19)18-21)4-2-3-9-15/h5-8,12,21H,2-4,9,15H2,1H3,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyLLCRWNZGVDKTMB-GFCCVEGCSA-N
MW294.36 g/mol
LogP1.12
Rot. Bonds7

About (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide

(2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide (PubChem CID 20646767) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide.

Molecular Properties

Compound Name(2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide
PubChem CID20646767
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide
SMILESCc1ccc(NC(=O)N[C@H](CCCCN)C(=O)NO)cc1
InChIInChI=1S/C14H22N4O3/c1-10-5-7-11(8-6-10)16-14(20)17-12(13(19)18-21)4-2-3-9-15/h5-8,12,21H,2-4,9,15H2,1H3,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyLLCRWNZGVDKTMB-GFCCVEGCSA-N
XLogP1.12
TPSA116.48 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide
CID 91424137
(2S)-6-amino-2-[[4-[(2-fluorophenyl)methoxy]phenyl]carbamoylamino]-N-(4-methylphenyl)hexanamide
CID 91429377
(2R)-6-amino-N-(4-methylphenyl)-2-[(3-phenylmethoxyphenyl)carbamoylamino]hexanamide
CID 90970724
1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea
CID 106357297
N-[(2S)-6-amino-1-(4-methylanilino)-1-oxohexan-2-yl]-2-phenylbenzamide
CID 91127715
(2S)-6-amino-N-(4-methylphenyl)-2-[[4-[(3-nitrophenyl)methoxy]phenyl]carbamoylamino]hexanamide
CID 91129944
6-amino-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-N-(4-methylphenyl)hexanamide
CID 135202870
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
CID 20646768
N-[(2S)-6-amino-1-(4-methylanilino)-1-oxohexan-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 91451384
1-(1-amino-1-sulfanylidenebutan-2-yl)-3-(4-methylphenyl)urea
CID 61122605
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide?
The IUPAC name of (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide (CID 20646767) is (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide.
What is the SMILES notation for (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide?
The canonical SMILES for (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide is Cc1ccc(NC(=O)N[C@H](CCCCN)C(=O)NO)cc1.
What is the InChIKey of (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide?
The InChIKey is LLCRWNZGVDKTMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-5-7-11(8-6-10)16-14(20)17-12(13(19)18-21)4-2-3-9-15/h5-8,12,21H,2-4,9,15H2,1H3,(H,18,19)(H2,16,17,20)/t12-/m1/s1.
What are the key properties of (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide?
(2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide has a molecular weight of 294.36 g/mol, XLogP of 1.12, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide is sourced from PubChem (CID 20646767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).