(2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide

C18H29N3O2 — CID 3063799

IUPAC(2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide
SMILESCCN(CC)CC(=O)NC(=O)[C@H](C)NC(C)(C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-6-21(7-2)13-16(22)19-17(23)14(3)20-18(4,5)15-11-9-8-10-12-15/h8-12,14,20H,6-7,13H2,1-5H3,(H,19,22,23)/t14-/m0/s1
InChIKeyCGXJUYMOSFIBKP-AWEZNQCLSA-N
MW319.45 g/mol
LogP1.88
Rot. Bonds8

About (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide

(2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide (PubChem CID 3063799) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide
PubChem CID3063799
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide
SMILESCCN(CC)CC(=O)NC(=O)[C@H](C)NC(C)(C)c1ccccc1
InChIInChI=1S/C18H29N3O2/c1-6-21(7-2)13-16(22)19-17(23)14(3)20-18(4,5)15-11-9-8-10-12-15/h8-12,14,20H,6-7,13H2,1-5H3,(H,19,22,23)/t14-/m0/s1
InChIKeyCGXJUYMOSFIBKP-AWEZNQCLSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide?
The IUPAC name of (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide (CID 3063799) is (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide.
What is the SMILES notation for (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide?
The canonical SMILES for (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide is CCN(CC)CC(=O)NC(=O)[C@H](C)NC(C)(C)c1ccccc1.
What is the InChIKey of (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide?
The InChIKey is CGXJUYMOSFIBKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-21(7-2)13-16(22)19-17(23)14(3)20-18(4,5)15-11-9-8-10-12-15/h8-12,14,20H,6-7,13H2,1-5H3,(H,19,22,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide?
(2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(diethylamino)acetyl]-2-(2-phenylpropan-2-ylamino)propanamide is sourced from PubChem (CID 3063799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).