[2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid

C16H23N3O7 — CID 167055796

IUPAC[2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid
SMILESCOC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)O)c(N)cc1OC
InChIInChI=1S/C16H23N3O7/c1-24-13-8-10(17)11(18-16(22)23)9-12(13)19(6-4-14(20)25-2)7-5-15(21)26-3/h8-9,18H,4-7,17H2,1-3H3,(H,22,23)
InChIKeyJWPKKZIVSUEJDC-UHFFFAOYSA-N
MW369.37 g/mol
LogP1.30
Rot. Bonds9

About [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid

[2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid (PubChem CID 167055796) has the molecular formula C16H23N3O7 and a molecular weight of 369.37 g/mol. Its IUPAC name is [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid
PubChem CID167055796
Molecular FormulaC16H23N3O7
Molecular Weight369.37 g/mol
Exact Mass369.15
IUPAC Name[2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid
SMILESCOC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)O)c(N)cc1OC
InChIInChI=1S/C16H23N3O7/c1-24-13-8-10(17)11(18-16(22)23)9-12(13)19(6-4-14(20)25-2)7-5-15(21)26-3/h8-9,18H,4-7,17H2,1-3H3,(H,22,23)
InChIKeyJWPKKZIVSUEJDC-UHFFFAOYSA-N
XLogP1.30
TPSA140.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(5-acetamido-4-amino-2-methoxy-N-methylanilino)propanoate
CID 155150487
1-[4-amino-2-methoxy-N-(3-oxopentyl)-5-(prop-1-en-2-ylamino)anilino]pentan-3-one
CID 129227301
2-oxobutyl 3-(5-acetamido-4-amino-N-benzyl-2-methoxyanilino)propanoate
CID 155150518
N-[2-amino-5-[bis(prop-2-enyl)amino]-4-methoxyphenyl]acetamide
CID 155148680
4-[4-amino-N-(4-hydroxybutyl)-2-methoxy-5-(methylamino)anilino]butan-1-ol
CID 144755561
methyl 3-(2-amino-4,5-dimethoxyanilino)propanoate
CID 83001699
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
[2-amino-4-chloro-5-[methyl(propyl)amino]phenyl]carbamic acid
CID 18613380
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
3-(4-chloro-N-ethyl-2-methoxy-5-methylanilino)propanoic acid
CID 82318783
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid?
The IUPAC name of [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid (CID 167055796) is [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid.
What is the SMILES notation for [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid?
The canonical SMILES for [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid is COC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)O)c(N)cc1OC.
What is the InChIKey of [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid?
The InChIKey is JWPKKZIVSUEJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O7/c1-24-13-8-10(17)11(18-16(22)23)9-12(13)19(6-4-14(20)25-2)7-5-15(21)26-3/h8-9,18H,4-7,17H2,1-3H3,(H,22,23).
What are the key properties of [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid?
[2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid has a molecular weight of 369.37 g/mol, XLogP of 1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid is sourced from PubChem (CID 167055796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).