3,5-diamino-4-(4-phenylphenyl)heptanediamide

C19H24N4O2 — CID 170876356

IUPAC3,5-diamino-4-(4-phenylphenyl)heptanediamide
SMILESNC(=O)CC(N)C(c1ccc(-c2ccccc2)cc1)C(N)CC(N)=O
InChIInChI=1S/C19H24N4O2/c20-15(10-17(22)24)19(16(21)11-18(23)25)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11,20-21H2,(H2,22,24)(H2,23,25)
InChIKeyRORKCTTWACZMQB-UHFFFAOYSA-N
MW340.43 g/mol
LogP0.84
Rot. Bonds8

About 3,5-diamino-4-(4-phenylphenyl)heptanediamide

3,5-diamino-4-(4-phenylphenyl)heptanediamide (PubChem CID 170876356) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3,5-diamino-4-(4-phenylphenyl)heptanediamide.

Molecular Properties

Compound Name3,5-diamino-4-(4-phenylphenyl)heptanediamide
PubChem CID170876356
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3,5-diamino-4-(4-phenylphenyl)heptanediamide
SMILESNC(=O)CC(N)C(c1ccc(-c2ccccc2)cc1)C(N)CC(N)=O
InChIInChI=1S/C19H24N4O2/c20-15(10-17(22)24)19(16(21)11-18(23)25)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11,20-21H2,(H2,22,24)(H2,23,25)
InChIKeyRORKCTTWACZMQB-UHFFFAOYSA-N
XLogP0.84
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-6-(4-phenylphenyl)hexanamide
CID 60862321
1,1'-biphenyl;2-hydroxyacetamide
CID 174302760
(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
2-(4-phenylphenyl)propyl carbamate
CID 66715133
4-methyl-3-phenylpentanamide
CID 66616845
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678
1,1'-biphenyl;propanamide
CID 155213147
2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
CID 66207160
2,3-dihydroxy-3-(4-phenylphenyl)propanamide
CID 171868964
3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
CID 116606231
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate
CID 131888301

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-4-(4-phenylphenyl)heptanediamide?
The IUPAC name of 3,5-diamino-4-(4-phenylphenyl)heptanediamide (CID 170876356) is 3,5-diamino-4-(4-phenylphenyl)heptanediamide.
What is the SMILES notation for 3,5-diamino-4-(4-phenylphenyl)heptanediamide?
The canonical SMILES for 3,5-diamino-4-(4-phenylphenyl)heptanediamide is NC(=O)CC(N)C(c1ccc(-c2ccccc2)cc1)C(N)CC(N)=O.
What is the InChIKey of 3,5-diamino-4-(4-phenylphenyl)heptanediamide?
The InChIKey is RORKCTTWACZMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-15(10-17(22)24)19(16(21)11-18(23)25)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11,20-21H2,(H2,22,24)(H2,23,25).
What are the key properties of 3,5-diamino-4-(4-phenylphenyl)heptanediamide?
3,5-diamino-4-(4-phenylphenyl)heptanediamide has a molecular weight of 340.43 g/mol, XLogP of 0.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-4-(4-phenylphenyl)heptanediamide is sourced from PubChem (CID 170876356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).