6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide

C18H26ClN3O4 — CID 170208907

IUPAC6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide
SMILESNC(=O)CCCCCc1cc(Cl)cc(OC[C@H](CCC(N)=O)NC=O)c1
InChIInChI=1S/C18H26ClN3O4/c19-14-8-13(4-2-1-3-5-17(20)24)9-16(10-14)26-11-15(22-12-23)6-7-18(21)25/h8-10,12,15H,1-7,11H2,(H2,20,24)(H2,21,25)(H,22,23)/t15-/m0/s1
InChIKeyGUDPXOOEJDPROX-HNNXBMFYSA-N
MW383.88 g/mol
LogP1.69
Rot. Bonds14

About 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide

6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide (PubChem CID 170208907) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide.

Molecular Properties

Compound Name6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide
PubChem CID170208907
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Name6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide
SMILESNC(=O)CCCCCc1cc(Cl)cc(OC[C@H](CCC(N)=O)NC=O)c1
InChIInChI=1S/C18H26ClN3O4/c19-14-8-13(4-2-1-3-5-17(20)24)9-16(10-14)26-11-15(22-12-23)6-7-18(21)25/h8-10,12,15H,1-7,11H2,(H2,20,24)(H2,21,25)(H,22,23)/t15-/m0/s1
InChIKeyGUDPXOOEJDPROX-HNNXBMFYSA-N
XLogP1.69
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[3-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]-5-chlorophenyl]hexanoate
CID 155189749
6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide
CID 155707244
6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-2-fluoro-6-methylphenyl]hexanamide
CID 170207701
4-formamido-5-[(4-propan-2-ylphenyl)methoxy]pentanamide
CID 155188921
N-[(2S)-5-amino-5-oxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]-7-phenylheptanamide
CID 91026852
methyl 5-[3-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]phenyl]pentanoate
CID 166012938
4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide
CID 155707554
N-[3-chloro-5-(7-methyl-6-oxooctyl)phenyl]formamide
CID 170952512
[4-(5-amino-5-oxopentyl)-2-fluorophenyl]methyl (2S)-5-amino-2-formamido-5-oxopentanoate
CID 170209143
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
6-[3-[(2S)-5-amino-2-methyl-5-oxopentoxy]-5-chloro-2-fluorophenyl]hexanoic acid
CID 167653385
6-[5-(2,5-diamino-5-oxopentoxy)-2-fluorophenyl]-N-methylhexanamide
CID 155706907

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide?
The IUPAC name of 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide (CID 170208907) is 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide.
What is the SMILES notation for 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide?
The canonical SMILES for 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide is NC(=O)CCCCCc1cc(Cl)cc(OC[C@H](CCC(N)=O)NC=O)c1.
What is the InChIKey of 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide?
The InChIKey is GUDPXOOEJDPROX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26ClN3O4/c19-14-8-13(4-2-1-3-5-17(20)24)9-16(10-14)26-11-15(22-12-23)6-7-18(21)25/h8-10,12,15H,1-7,11H2,(H2,20,24)(H2,21,25)(H,22,23)/t15-/m0/s1.
What are the key properties of 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide?
6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide has a molecular weight of 383.88 g/mol, XLogP of 1.69, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2S)-5-amino-2-formamido-5-oxopentoxy]-5-chlorophenyl]hexanamide is sourced from PubChem (CID 170208907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).