3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride

C16H26ClN3O2 — CID 119950764

IUPAC3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-11(2)18-16(21)12(3)19-15(20)10-14(17)13-8-6-5-7-9-13;/h5-9,11-12,14H,4,10,17H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyQBVZMHLWBHCTRL-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.92
Rot. Bonds7

About 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride (PubChem CID 119950764) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
PubChem CID119950764
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-4-11(2)18-16(21)12(3)19-15(20)10-14(17)13-8-6-5-7-9-13;/h5-9,11-12,14H,4,10,17H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyQBVZMHLWBHCTRL-UHFFFAOYSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride (CID 119950764) is 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride is CCC(C)NC(=O)C(C)NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride?
The InChIKey is QBVZMHLWBHCTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-4-11(2)18-16(21)12(3)19-15(20)10-14(17)13-8-6-5-7-9-13;/h5-9,11-12,14H,4,10,17H2,1-3H3,(H,18,21)(H,19,20);1H.
What are the key properties of 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).