(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide

C18H35N3O2 — CID 22803647

IUPAC(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide
SMILESCCCCCCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC
InChIInChI=1S/C18H35N3O2/c1-4-6-7-8-10-14(3)13-16(17(22)19-5-2)21-18(23)15-11-9-12-20-15/h14-16,20H,4-13H2,1-3H3,(H,19,22)(H,21,23)/t14?,15-,16-/m0/s1
InChIKeyFAQZYXTVDFHOIR-YVZMLIKISA-N
MW325.50 g/mol
LogP2.36
Rot. Bonds11

About (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 22803647) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide
PubChem CID22803647
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide
SMILESCCCCCCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC
InChIInChI=1S/C18H35N3O2/c1-4-6-7-8-10-14(3)13-16(17(22)19-5-2)21-18(23)15-11-9-12-20-15/h14-16,20H,4-13H2,1-3H3,(H,19,22)(H,21,23)/t14?,15-,16-/m0/s1
InChIKeyFAQZYXTVDFHOIR-YVZMLIKISA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 439221
CID 439221
CID 11623539
CID 11623539
CID 23646361
CID 23646361
CID 10367012
CID 10367012
CID 11176463
CID 11176463
CID 11417324
CID 11417324
CID 155529699
CID 155529699
CID 16187659
CID 16187659
CID 10790153
CID 10790153
CID 11544064
CID 11544064
CID 11417726
CID 11417726
CID 44146389
CID 44146389

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide (CID 22803647) is (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide is CCCCCCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC.
What is the InChIKey of (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is FAQZYXTVDFHOIR-YVZMLIKISA-N. The full InChI is InChI=1S/C18H35N3O2/c1-4-6-7-8-10-14(3)13-16(17(22)19-5-2)21-18(23)15-11-9-12-20-15/h14-16,20H,4-13H2,1-3H3,(H,19,22)(H,21,23)/t14?,15-,16-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 2.36, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(ethylamino)-4-methyl-1-oxodecan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22803647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).