(2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide

C19H24N4O3 — CID 24901635

IUPAC(2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide
SMILESNCCNC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24N4O3/c20-12-13-22-19(25)17(21)10-11-18(24)23-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,17H,10-13,20-21H2,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyZXCLUUNFJWDDPK-KRWDZBQOSA-N
MW356.43 g/mol
LogP1.60
Rot. Bonds9

About (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide

(2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide (PubChem CID 24901635) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide
PubChem CID24901635
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide
SMILESNCCNC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24N4O3/c20-12-13-22-19(25)17(21)10-11-18(24)23-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,17H,10-13,20-21H2,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKeyZXCLUUNFJWDDPK-KRWDZBQOSA-N
XLogP1.60
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide?
The IUPAC name of (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide (CID 24901635) is (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide?
The canonical SMILES for (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide is NCCNC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide?
The InChIKey is ZXCLUUNFJWDDPK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O3/c20-12-13-22-19(25)17(21)10-11-18(24)23-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,17H,10-13,20-21H2,(H,22,25)(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide?
(2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide has a molecular weight of 356.43 g/mol, XLogP of 1.60, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-aminoethyl)-N'-(4-phenoxyphenyl)pentanediamide is sourced from PubChem (CID 24901635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).