N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide

C13H19N5O3 — CID 62921681

IUPACN-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C13H19N5O3/c1-8(18(6-11(15)19)7-12(16)20)13(21)17-10-4-2-9(14)3-5-10/h2-5,8H,6-7,14H2,1H3,(H2,15,19)(H2,16,20)(H,17,21)
InChIKeyQEEBRKKCQBOGST-UHFFFAOYSA-N
MW293.33 g/mol
LogP-1.13
Rot. Bonds7

About N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide

N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide (PubChem CID 62921681) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
PubChem CID62921681
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C13H19N5O3/c1-8(18(6-11(15)19)7-12(16)20)13(21)17-10-4-2-9(14)3-5-10/h2-5,8H,6-7,14H2,1H3,(H2,15,19)(H2,16,20)(H,17,21)
InChIKeyQEEBRKKCQBOGST-UHFFFAOYSA-N
XLogP-1.13
TPSA144.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 61242810
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2-[(2-amino-2-oxoethyl)-ethylamino]-N-(3-aminophenyl)propanamide
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CID 63696461
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(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373800
2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924176
N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
CID 82224572
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
CID 103101404
N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 54992578

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide?
The IUPAC name of N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide (CID 62921681) is N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide is CC(C(=O)Nc1ccc(N)cc1)N(CC(N)=O)CC(N)=O.
What is the InChIKey of N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide?
The InChIKey is QEEBRKKCQBOGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-8(18(6-11(15)19)7-12(16)20)13(21)17-10-4-2-9(14)3-5-10/h2-5,8H,6-7,14H2,1H3,(H2,15,19)(H2,16,20)(H,17,21).
What are the key properties of N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide?
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide has a molecular weight of 293.33 g/mol, XLogP of -1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide is sourced from PubChem (CID 62921681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).