N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide

C14H29N3O2 — CID 112685123

IUPACN,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNCC(O)CN1CCCC1
InChIInChI=1S/C14H29N3O2/c1-3-17(4-2)14(19)7-8-15-11-13(18)12-16-9-5-6-10-16/h13,15,18H,3-12H2,1-2H3
InChIKeySRBYDTXHIHNPGY-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.29
Rot. Bonds9

About N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide

N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide (PubChem CID 112685123) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide
PubChem CID112685123
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNCC(O)CN1CCCC1
InChIInChI=1S/C14H29N3O2/c1-3-17(4-2)14(19)7-8-15-11-13(18)12-16-9-5-6-10-16/h13,15,18H,3-12H2,1-2H3
InChIKeySRBYDTXHIHNPGY-UHFFFAOYSA-N
XLogP0.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-N-methylacetamide
CID 60901241
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115356372
N-cyclopropyl-4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 79394060
1-(diethylamino)-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 54967373
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
CID 115585771
1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 43165810
1-(pent-4-ynylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 106221253
3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol
CID 65111953
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide (CID 112685123) is N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide is CCN(CC)C(=O)CCNCC(O)CN1CCCC1.
What is the InChIKey of N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide?
The InChIKey is SRBYDTXHIHNPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-17(4-2)14(19)7-8-15-11-13(18)12-16-9-5-6-10-16/h13,15,18H,3-12H2,1-2H3.
What are the key properties of N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide?
N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide has a molecular weight of 271.40 g/mol, XLogP of 0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide is sourced from PubChem (CID 112685123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).